4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol

C17H26FNO — CID 19823646

IUPAC4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
SMILESCN(C)C(CC(C)(C)O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H26FNO/c1-16(2,20)12-15(19(3)4)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,15,20H,5,10-12H2,1-4H3
InChIKeySRSCTSVYNOVVAW-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.34
Rot. Bonds5

About 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol

4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol (PubChem CID 19823646) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
PubChem CID19823646
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
SMILESCN(C)C(CC(C)(C)O)C1(c2ccc(F)cc2)CCC1
InChIInChI=1S/C17H26FNO/c1-16(2,20)12-15(19(3)4)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,15,20H,5,10-12H2,1-4H3
InChIKeySRSCTSVYNOVVAW-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Dimethylamino)-2,3-dimethyl-2-phenylhexan-3-ol;hydrochloride
CID 15945630
US11214540, Example 62
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1-(Dimethylamino)-3-methyl-2-phenylpentan-3-ol
CID 214385
1-[2-(Dimethylamino)-1-(4-fluorophenyl)ethyl]cyclohexan-1-ol
CID 46700768
1-[2-(Dimethylamino)-1-(3-fluorophenyl)ethyl]cyclohexan-1-ol
CID 135070752
6-(Dimethylamino)-2,3-dimethyl-2-phenyl-3-hexanol
CID 11834795
1-[1-(2-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
CID 11222302
1-[1-(3-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
CID 11254838
1-[1-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-ol
CID 11335331
2-[(Dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233395
trans-(1R,2S)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233397
cis-(1R,2R)-2-[(dimethylamino)methyl]-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 13233399

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The IUPAC name of 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol (CID 19823646) is 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The canonical SMILES for 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol is CN(C)C(CC(C)(C)O)C1(c2ccc(F)cc2)CCC1.
What is the InChIKey of 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
The InChIKey is SRSCTSVYNOVVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-16(2,20)12-15(19(3)4)17(10-5-11-17)13-6-8-14(18)9-7-13/h6-9,15,20H,5,10-12H2,1-4H3.
What are the key properties of 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol?
4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol has a molecular weight of 279.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol is sourced from PubChem (CID 19823646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).